(1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol

C14H18FNO2S — CID 139793359

IUPAC(1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol
SMILESCN(C)CCOC[C@H](O)c1cc2ccsc2cc1F
InChIInChI=1S/C14H18FNO2S/c1-16(2)4-5-18-9-13(17)11-7-10-3-6-19-14(10)8-12(11)15/h3,6-8,13,17H,4-5,9H2,1-2H3/t13-/m0/s1
InChIKeyLCJWUQLEPAKFMG-ZDUSSCGKSA-N
MW283.37 g/mol
LogP2.65
Rot. Bonds6

About (1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol

(1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol (PubChem CID 139793359) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is (1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol
PubChem CID139793359
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name(1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol
SMILESCN(C)CCOC[C@H](O)c1cc2ccsc2cc1F
InChIInChI=1S/C14H18FNO2S/c1-16(2)4-5-18-9-13(17)11-7-10-3-6-19-14(10)8-12(11)15/h3,6-8,13,17H,4-5,9H2,1-2H3/t13-/m0/s1
InChIKeyLCJWUQLEPAKFMG-ZDUSSCGKSA-N
XLogP2.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Benzo(b)thiophene-5-methanol, alpha-((2-(diethylamino)ethoxy)methyl)-, hydrochloride (1:1), (alphaR)-
CID 132522
Benzo(b)thiophene-5-methanol, alpha-((2-(dimethylamino)ethoxy)methyl)-, hydrochloride
CID 3076645
Benzo(b)thiophene-5-methanol, alpha-((2-(4-morpholinyl)ethoxy)methyl)-, hydrochloride
CID 3076654
Benzo(b)thiophene-5-methanol, alpha-((4-(dimethylamino)butoxy)methyl)-, hydrochloride
CID 3076656
Benzo(b)thiophene-2-methanol, alpha-((2-(methylamino)ethoxy)methyl)-, hydrochloride
CID 3076662
Benzo(b)thiophene-2-methanol, alpha-((2-(dimethylamino)ethoxy)methyl)-5-methyl-, hydrochloride
CID 3076664
Benzo(b)thiophene-6-methanol, alpha-((3-(dimethylamino)propoxy)methyl)-
CID 3076667
1-(1-Benzothiophen-3-yl)-2-morpholin-4-ylethanol
CID 23870
(1R)-1-(1-benzothiophen-5-yl)-2-[2-(diethylamino)ethoxy]ethanol
CID 132523
1-(1-Benzothiophen-5-yl)-2-[2-(diethylamino)ethoxy]ethanol
CID 9840461
1-(1-Benzothiophen-5-yl)-2-[2-(dimethylamino)ethoxy]ethanol
CID 3076646
1-(1-Benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol
CID 3076655

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol?
The IUPAC name of (1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol (CID 139793359) is (1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol.
What is the SMILES notation for (1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol?
The canonical SMILES for (1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol is CN(C)CCOC[C@H](O)c1cc2ccsc2cc1F.
What is the InChIKey of (1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol?
The InChIKey is LCJWUQLEPAKFMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-16(2)4-5-18-9-13(17)11-7-10-3-6-19-14(10)8-12(11)15/h3,6-8,13,17H,4-5,9H2,1-2H3/t13-/m0/s1.
What are the key properties of (1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol?
(1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol has a molecular weight of 283.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-(dimethylamino)ethoxy]-1-(6-fluoro-1-benzothiophen-5-yl)ethanol is sourced from PubChem (CID 139793359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).